ChemSpider 2D Image | (3Z,5S,6S,7S,8R,11Z,13S,14R,15S,16Z)-8,14-Dihydroxy-19-[(2S,3S,4S,5R)-4-(methoxymethoxy)-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,13,15-tetramethyl-1,3,11,16-nonadecatetraen-6-yl carbamate (non
-preferred name) | C33H55NO8

(3Z,5S,6S,7S,8R,11Z,13S,14R,15S,16Z)-8,14-Dihydroxy-19-[(2S,3S,4S,5R)-4-(methoxymethoxy)-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,13,15-tetramethyl-1,3,11,16-nonadecatetraen-6-yl carbamate (non -preferred name)

  • Molecular FormulaC33H55NO8
  • Average mass593.792 Da
  • Monoisotopic mass593.392761 Da
  • ChemSpider ID8070492
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3Z,5S,6S,7S,8R,11Z,13S,14R,15S,16Z)-8,14-Dihydroxy-19-[(2S,3S,4S,5R)-4-(methoxymethoxy)-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,13,15-tetramethyl-1,3,11,16-nonadecatetraen-6-yl carbamate (non -preferred name) [ACD/IUPAC Name]
(3Z,5S,6S,7S,8R,11Z,13S,14R,15S,16Z)-8,14-Dihydroxy-19-[(2S,3S,4S,5R)-4-(methoxymethoxy)-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,13,15-tetramethyl-1,3,11,16-nonadecatetraen-6-ylcarbamat (non-p referred name) [German] [ACD/IUPAC Name]
Carbamate de (3Z,5S,6S,7S,8R,11Z,13S,14R,15S,16Z)-8,14-dihydroxy-19-[(2S,3S,4S,5R)-4-(méthoxyméthoxy)-3,5-diméthyl-6-oxotétrahydro-2H-pyran-2-yl]-5,7,13,15-tétraméthyl-1,3,11,16-nonadécatétraén-6-yle (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 166.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1736.99
ACD/KOC (pH 5.5): 7255.13
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1736.99
ACD/KOC (pH 7.4): 7255.12
Polar Surface Area: 138 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 546.2±5.0 cm3

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